N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide

C10H15F2NO2 — CID 103770473

IUPACN-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CC=CCC1
InChIInChI=1S/C10H15F2NO2/c11-9(12)8(14)6-13-10(15)7-4-2-1-3-5-7/h1-2,7-9,14H,3-6H2,(H,13,15)
InChIKeyZXPMIBBMBMWLKK-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.08
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 103770473) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
PubChem CID103770473
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CC=CCC1
InChIInChI=1S/C10H15F2NO2/c11-9(12)8(14)6-13-10(15)7-4-2-1-3-5-7/h1-2,7-9,14H,3-6H2,(H,13,15)
InChIKeyZXPMIBBMBMWLKK-UHFFFAOYSA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide (CID 103770473) is N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide is O=C(NCC(O)C(F)F)C1CC=CCC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is ZXPMIBBMBMWLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-9(12)8(14)6-13-10(15)7-4-2-1-3-5-7/h1-2,7-9,14H,3-6H2,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 219.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 103770473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).